Molecule

ID:48376

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClF₃N₂
Molecular Mass
266.6904696
Exact Mass
266.0797608
Charge
0
InChI
InChI=1S/C11H14ClF3N2/c1-3-4-5-17(2)10-9(12)6-8(7-16-10)11(13,14)15/h6-7H,3-5H2,1-2H3
InChIKey
IPJWDAXTQHEZSE-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ncc(cc1Cl)C(F)(F)F)C
Isomeric Smiles
C(c1cc(c(nc1)N(CCCC)C)Cl)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2588663
LogD (pH = 7.4)
4.2638035
Log P
4.263867
Molar Refractivity
63.2953
Polarizability
22.856695
Polar Surface Area
16.13
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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